N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide

C12H12FN3OS2 — CID 921883

IUPACN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CSCc2ccccc2F)s1
InChIInChI=1S/C12H12FN3OS2/c1-8(17)14-12-16-15-11(19-12)7-18-6-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeyFNHSXSFGOZAWBM-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.07
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 921883) has the molecular formula C12H12FN3OS2 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID921883
Molecular FormulaC12H12FN3OS2
Molecular Weight297.38 g/mol
Exact Mass297.04
IUPAC NameN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CSCc2ccccc2F)s1
InChIInChI=1S/C12H12FN3OS2/c1-8(17)14-12-16-15-11(19-12)7-18-6-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeyFNHSXSFGOZAWBM-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 921883) is N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(CSCc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FNHSXSFGOZAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS2/c1-8(17)14-12-16-15-11(19-12)7-18-6-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,16,17).
What are the key properties of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 921883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).